Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C54H46N4O8/c1-7-65-53(59)33-13-9-31(10-14-33)49-39-21-25-43(55-39)51(37-19-17-35(61-3)29-47(37)63-5)45-27-23-41(57-45)50(32-11-15-34(16-12-32)54(60)66-8-2)42-24-28-46(58-42)52(44-26-22-40(49)56-44)38-20-18-36(62-4)30-48(38)64-6/h9-30,55,58H,7-8H2,1-6H3/b49-39-,49-40-,50-41-,50-42-,51-43-,51-45-,52-44-,52-46-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccc(cc1OC)OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1OC)OC
InChI Key	WQBRWQVOHSENAT-YTJYWMACSA-N
Molecular Formula	C54H46N4O8
Exact Mass	878.965 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WQBRWQVOHSENAT-YTJYWMACSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/WQBRWQVOHSENAT-YTJYWMACSA-N/CHMO0000593
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:49:53.271458
MetadataModified	2024-09-07T18:51:01.549380
MetadataPublished	2020-08-31
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.